Chemical ID: 4178991

COc1cc(c(cc1CNc2ccc3c(c2)OCO3)Br)OC
Chemical ID:
4178991
Name [?]:
N-[(5-bromo-2,4-dimethoxy-phenyl)methyl]benzo[1,3]dioxol-5-amine
SMILES [?]:
COc1cc(c(cc1CNc2ccc3c(c2)OCO3)Br)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16BrNO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.27685
Area:509.642
Solvation:-5.4642
Coulombic:-41.8942
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.207
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.76
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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